SCHEMBL20080972

SCHEMBL20080972

C1=C(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)C=C(c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)CC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19791242 0.84 MEN1 (0.36) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL20083127 0.84 MEN1 (0.36) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL19791235 0.84 MEN1 (0.36) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL20709473 0.81 L3MBTL1 (0.36) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL15468624 0.80 MEN1 (0.37) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL24098353 0.79 MEN1 (0.43) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL22722731 0.79 MEN1 (0.43) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL22722729 0.79 MEN1 (0.43) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL21131898 0.79 MEN1 (0.43) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL18180829 0.79 MEN1 (0.43) MEN1ALDH1A1MAPTHPGDKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312895-A1 ORGANIC SEMICONDUCTING MATERIAL COMPRISING AN ELECTRICAL N-DOPANT AND AN ELECTRON TRANSPORT MATRIX AND ELECTRONIC DEVICE COMPRISING THE SEMICONDUCTING MATERIAL Novaled GmbH (DE) 2018-04-25 EP disclosed